Results 341 to 350 of about 1,610,034 (354)

The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data Available to Purchase

Journal of Chemical Physics, 1997
Harry Partridge
exaly  

Ab Initio Calculations

2016
openaire   +1 more source

Structures and stability of medium silicon clusters. II. Ab initio molecular orbital calculations of Si12–Si20

Journal of Chemical Physics, 2004
Xiaolong Zhu, Xiao Cheng Zeng, B Pan
exaly  

Ab initio calculations of electronic and vibrational energies of HCO and HOC

Journal of Chemical Physics, 1986
Joel Bowman, Lawrence B Harding
exaly  

Alkali carbonates: Raman spectroscopy, ab initio calculations, and structure

Journal of Molecular Structure, 1996
Shinji Kohara, Marie-Louise Saboungi, Ken Takeuchi   +2 more
exaly  

Ab initio calculations of mechanical properties: Methods and applications

Progress in Materials Science, 2015
Mojmir Sob, Jaroslav Pokluda, Miroslav Cerny   +2 more
exaly  

The Jahn–Teller and related effects in the cyclopentadienyl radical. I. The ab initio calculation of spectroscopically observable parameters

Journal of Chemical Physics, 2001
Terry A. Miller, Timothy A Barckholtz, Brian E Applegate   +2 more
exaly  

Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of Si7–Si11

Journal of Chemical Physics, 2003
Xiaolei Zhu, Xiao Cheng Zeng
exaly  

Quantum Calculations of Vibrational Energies of H3O2- on an ab Initio Potential

Journal of the American Chemical Society, 2004
Joel Bowman, Xinchuan Huang, Bastiaan J. Braams   +2 more
exaly  

An accurate potential energy curve for helium based on ab initio calculations

Journal of Chemical Physics, 1997
R A Aziz
exaly